Crystallography Open Database

Information card for entry 7015469

Preview

Coordinates	7015469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H44 Cl3 F6 N3 O9 P Rh
Calculated formula	C34 H44 Cl3 F6 N3 O9 P Rh
SMILES	[Rh]12345(Cl)([n]6c(CN7C=1N(C=C7)[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.ClCCl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on "sugar-coated" N-heterocyclic carbene ligands.
Authors of publication	Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	18
Pages of publication	4826 - 4829
a	12.5638 ± 0.0007 Å
b	15.2175 ± 0.0009 Å
c	22.2295 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4250 ± 0.4 Å³
Cell temperature	193.1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7015469.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015469.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015469.cif
21160	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015468, 7015469 via cif-deposit CGI script.	7015469.cif